N-ethyl-5-fluoro-2-(methoxymethoxy)-N-pyridin-4-ylbenzenesulfonamide

C15H17FN2O4S — CID 136561863

IUPACN-ethyl-5-fluoro-2-(methoxymethoxy)-N-pyridin-4-ylbenzenesulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)c1cc(F)ccc1OCOC
InChIInChI=1S/C15H17FN2O4S/c1-3-18(13-6-8-17-9-7-13)23(19,20)15-10-12(16)4-5-14(15)22-11-21-2/h4-10H,3,11H2,1-2H3
InChIKeyHMTQTSMJRODGTM-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.42
Rot. Bonds7

About N-ethyl-5-fluoro-2-(methoxymethoxy)-N-pyridin-4-ylbenzenesulfonamide

N-ethyl-5-fluoro-2-(methoxymethoxy)-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 136561863) has the molecular formula C15H17FN2O4S and a molecular weight of 340.38 g/mol. Its IUPAC name is N-ethyl-5-fluoro-2-(methoxymethoxy)-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-5-fluoro-2-(methoxymethoxy)-N-pyridin-4-ylbenzenesulfonamide
PubChem CID136561863
Molecular FormulaC15H17FN2O4S
Molecular Weight340.38 g/mol
Exact Mass340.09
IUPAC NameN-ethyl-5-fluoro-2-(methoxymethoxy)-N-pyridin-4-ylbenzenesulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)c1cc(F)ccc1OCOC
InChIInChI=1S/C15H17FN2O4S/c1-3-18(13-6-8-17-9-7-13)23(19,20)15-10-12(16)4-5-14(15)22-11-21-2/h4-10H,3,11H2,1-2H3
InChIKeyHMTQTSMJRODGTM-UHFFFAOYSA-N
XLogP2.42
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-2-(methoxymethoxy)-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of N-ethyl-5-fluoro-2-(methoxymethoxy)-N-pyridin-4-ylbenzenesulfonamide (CID 136561863) is N-ethyl-5-fluoro-2-(methoxymethoxy)-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-5-fluoro-2-(methoxymethoxy)-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for N-ethyl-5-fluoro-2-(methoxymethoxy)-N-pyridin-4-ylbenzenesulfonamide is CCN(c1ccncc1)S(=O)(=O)c1cc(F)ccc1OCOC.
What is the InChIKey of N-ethyl-5-fluoro-2-(methoxymethoxy)-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is HMTQTSMJRODGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4S/c1-3-18(13-6-8-17-9-7-13)23(19,20)15-10-12(16)4-5-14(15)22-11-21-2/h4-10H,3,11H2,1-2H3.
What are the key properties of N-ethyl-5-fluoro-2-(methoxymethoxy)-N-pyridin-4-ylbenzenesulfonamide?
N-ethyl-5-fluoro-2-(methoxymethoxy)-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 340.38 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-2-(methoxymethoxy)-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 136561863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).